SCHEMBL394857

SCHEMBL394857

CCCNS(=O)(=O)c1ccc(/C=C(\C)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ALDH1A1 P00352 5/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
AKR1C3 P42330 1/20 0.47
POLB P06746 1/20 0.47
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
HDAC1 Q13547 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42
MAPK1 P28482 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL394858 1.00 CA12 (0.53) CA12CA9CA1CA2ALDH1A1
SCHEMBL397043 0.92 ALDH1A1 (0.48) CA12CA9CA1CA2ALDH1A1
SCHEMBL397042 0.92 ALDH1A1 (0.48) CA12CA9CA1CA2ALDH1A1
SCHEMBL396595 0.88 ALDH1A1 (0.52) ALDH1A1CYP2C9AKR1C3POLBAKR1C2
SCHEMBL396596 0.88 ALDH1A1 (0.52) ALDH1A1CYP2C9AKR1C3POLBAKR1C2
SCHEMBL397722 0.84 ATM (0.47) CA12CA9CA1CA2ALDH1A1
SCHEMBL397723 0.84 ATM (0.47) CA12CA9CA1CA2ALDH1A1
SCHEMBL393883 0.82 ALDH1A1 (0.56) CA12CA9CA1CA2ALDH1A1
SCHEMBL393882 0.82 ALDH1A1 (0.56) CA12CA9CA1CA2ALDH1A1
SCHEMBL11110509 0.81 ALDH1A1 (0.56) CA1CA2ALDH1A1AKR1C3POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed